1-(3-ethynylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-ethynylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(3-ethynylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-ethynylphenyl)-N-[(4-methoxyphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-ethynylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-p-anisyl-amine Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#C

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#C

InChI

InChI=1S/C21H17N5O/c1-3-15-5-4-6-17(11-15)26-21-19(13-25-26)20(23-14-24-21)22-12-16-7-9-18(27-2)10-8-16/h1,4-11,13-14H,12H2,2H3,(H,22,23,24)